N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine

C19H29NO — CID 62514068

IUPACN-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine
SMILESCOc1ccccc1CC(CNC1CC1)CC1CCCC1
InChIInChI=1S/C19H29NO/c1-21-19-9-5-4-8-17(19)13-16(14-20-18-10-11-18)12-15-6-2-3-7-15/h4-5,8-9,15-16,18,20H,2-3,6-7,10-14H2,1H3
InChIKeyQDQOOESAUPDFDY-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.19
Rot. Bonds8

About N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine

N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine (PubChem CID 62514068) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine
PubChem CID62514068
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine
SMILESCOc1ccccc1CC(CNC1CC1)CC1CCCC1
InChIInChI=1S/C19H29NO/c1-21-19-9-5-4-8-17(19)13-16(14-20-18-10-11-18)12-15-6-2-3-7-15/h4-5,8-9,15-16,18,20H,2-3,6-7,10-14H2,1H3
InChIKeyQDQOOESAUPDFDY-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine
CID 62516670
1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
CID 115710215
1-cyclobutyl-3-(2-methoxyphenyl)propan-2-ol
CID 65459253
1-(2-chloro-2-cyclopentylethyl)-2-methoxybenzene
CID 63017211
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 82933866
4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine
CID 65083104
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
[3-cyclopropyl-1-(2-methoxyphenyl)butan-2-yl]hydrazine
CID 105289407
2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid
CID 79418094
N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65079928
N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine
CID 83229129

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine (CID 62514068) is N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine is COc1ccccc1CC(CNC1CC1)CC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine?
The InChIKey is QDQOOESAUPDFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-21-19-9-5-4-8-17(19)13-16(14-20-18-10-11-18)12-15-6-2-3-7-15/h4-5,8-9,15-16,18,20H,2-3,6-7,10-14H2,1H3.
What are the key properties of N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine?
N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine is sourced from PubChem (CID 62514068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).